(2Z)-2-(thian-3-ylidene)ethanamine

C7H13NS — CID 63969463

IUPAC(2Z)-2-(thian-3-ylidene)ethanamine
SMILESNC/C=C1/CCCSC1
InChIInChI=1S/C7H13NS/c8-4-3-7-2-1-5-9-6-7/h3H,1-2,4-6,8H2/b7-3-
InChIKeyJXXSAKKHNBEKPV-CLTKARDFSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds1

About (2Z)-2-(thian-3-ylidene)ethanamine

(2Z)-2-(thian-3-ylidene)ethanamine (PubChem CID 63969463) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (2Z)-2-(thian-3-ylidene)ethanamine.

Molecular Properties

Compound Name(2Z)-2-(thian-3-ylidene)ethanamine
PubChem CID63969463
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(2Z)-2-(thian-3-ylidene)ethanamine
SMILESNC/C=C1/CCCSC1
InChIInChI=1S/C7H13NS/c8-4-3-7-2-1-5-9-6-7/h3H,1-2,4-6,8H2/b7-3-
InChIKeyJXXSAKKHNBEKPV-CLTKARDFSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Thian-4-ylidene)ethan-1-amine hydrochloride
CID 137971647
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
CID 105431710
2-(Thian-4-ylidene)ethan-1-amine
CID 112655253
5-methyl-3,6-dihydro-2H-thiopyran-2-amine
CID 69648091
2-(Cyclohexa-1,5-dien-1-ylmethylsulfanyl)ethanamine
CID 142131659
(2E,5Z)-8-ethylsulfanyl-6-methyl-3-prop-1-en-2-ylocta-2,5-dien-1-amine
CID 173999099
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 55290343
(2Z)-2-(1,1-dioxothian-3-ylidene)ethanamine
CID 63969240
2-(Thiolan-3-ylidene)ethanamine
CID 76996928
3-(Thian-3-ylidene)propan-1-amine
CID 76997019
2-(1,1-Dioxothian-3-ylidene)ethanamine
CID 76997078
2-(Thian-3-ylidene)ethanamine
CID 76997125

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(thian-3-ylidene)ethanamine?
The IUPAC name of (2Z)-2-(thian-3-ylidene)ethanamine (CID 63969463) is (2Z)-2-(thian-3-ylidene)ethanamine.
What is the SMILES notation for (2Z)-2-(thian-3-ylidene)ethanamine?
The canonical SMILES for (2Z)-2-(thian-3-ylidene)ethanamine is NC/C=C1/CCCSC1.
What is the InChIKey of (2Z)-2-(thian-3-ylidene)ethanamine?
The InChIKey is JXXSAKKHNBEKPV-CLTKARDFSA-N. The full InChI is InChI=1S/C7H13NS/c8-4-3-7-2-1-5-9-6-7/h3H,1-2,4-6,8H2/b7-3-.
What are the key properties of (2Z)-2-(thian-3-ylidene)ethanamine?
(2Z)-2-(thian-3-ylidene)ethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(thian-3-ylidene)ethanamine is sourced from PubChem (CID 63969463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).